Shanghai Rory Fine Chemicals Co., Ltd

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Profile: Shanghai Rory Fine Chemical Co., Ltd. deals with pharma intermediates and pharma raw materials. Our products include irsogladine, iron sucrose, manidipine hydrochloride, biguanide, 5-hydroxymethyl uracil, 2-amino-7-methoxytetralin HCL, N-methyl-beta-alaninenitrile, 3-chloro-6-methylpyridazine, 2-bromopyridine-4-methanol, and 3-mercaptopropionic acid.

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• Biguanide

IUPAC Name: 2-carbamimidoylguanidine | CAS Registry Number: 56-03-1
Synonyms: HBIG, DIGUANIDE, Imidodicarbonimidic diamide, CHEBI:3095, Hepatitis B hyperimmune globulin, CID5939, 1,2,3-triimidodicarbonic diamide, EINECS 200-251-8, H2N-C(=NH)-NH-C(=NH)-NH2, AI3-52571, MI1052000, C07672, 4911-98-2

Molecular Formula:	C₂H₇N₅	Molecular Weight:	101.110480 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: XNCOSPRUTUOJCJ-UHFFFAOYSA-N

• Chlorohexan-2-One

IUPAC Name: 6-chlorohexan-2-one | CAS Registry Number: 10226-30-9
Synonyms: 6-Chloro-2-hexanone, 6-Chlorohexan-2-one, 515442_ALDRICH, ZINC02556912, CID82468, EINECS 233-546-5

Molecular Formula:	C₆H₁₁ClO	Molecular Weight:	134.603940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: CMDIDTNMHQUVPE-UHFFFAOYSA-N

• Clozapine

IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[c][1,5]benzodiazepine | CAS Registry Number: 5786-21-0
Synonyms: clozapine, Clozapin, Leponex, Fazaclo, Clorazil, Iprox, CLOZARIL, Asaleptin, Lepotex, Clozaril (TN), Prestwick_693, Ambap805, Clozapinum [INN-Latin], Clozapina [INN-Spanish], Spectrum_000139, Tocris-0444, Prestwick0_000350, Prestwick1_000350, Spectrum2_000919, Spectrum3_001828

Molecular Formula:	C₁₈H₁₉ClN₄	Molecular Weight:	326.823260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZUXABONWMNSFBN-UHFFFAOYSA-N

• Ethyl 1,2-dimethyl-5-hydroxyindole-3-carboxylate

IUPAC Name: ethyl 5-hydroxy-1,2-dimethylindole-3-carboxylate | CAS Registry Number: 15574-49-9
Synonyms: Mecarbinate, Dimecarbin, Dimecarbine, Dimekarbin, Mecarbinate [INN], Mecarbinatum [INN-Latin], Mecarbinato [INN-Spanish], Oprea1_078760, Oprea1_434116, CBDivE_000227, BA 2676, ZERO/008629, BRN 0193275, CID616236, ZINC00001652, 1,2-Dimethyl-3-carbethoxy- 5-hydroxyindole, NCGC00160670-01, BAS 00381385, EC-000.1448, Ethyl 5-hydroxy-1,2-dimethylindole-3-carboxylate

Molecular Formula:	C₁₃H₁₅NO₃	Molecular Weight:	233.263100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: YTBNTDMBGXAOCG-UHFFFAOYSA-N

• Ethyl 2-Amino-7-Isopropyl-5-Oxo-5H-[1]benzopyrano[2,3-B]pyridine-3-Carboxylate

IUPAC Name: ethyl 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate | CAS Registry Number: 68301-99-5
Synonyms: Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate, Ethyl2-amino-7-isopropyl-5-oxo-5H-[1]-benzopyrano-[2,3-b]pyridine-3-carboxylate, Ethyl 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate, AGN-PC-00JS3D, CTK6F6111, Ethyl2-amino-7-isopropyl-5-oxo-, ACN-S001271, ANW-60381, SBB067035, ZINC38339121, AKOS015900497, AC-2052, AG-C-25780, AK101227, KB-201284, FT-0645356, A24906, 5H-[1]-benzopyrano-[2,3-b]pyridine-3-carboxylate, I14-0659, ethyl 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate

Molecular Formula:	C₁₈H₁₈N₂O₄	Molecular Weight:	326.346520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: PFDJAEKKGJFCNL-UHFFFAOYSA-N

• Ethyl 5-acetoxy-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate

IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-(bromomethyl)-1-methylindole-3-carboxylate | CAS Registry Number: 110543-98-1
Synonyms: ChemDiv1_011736, CID184226, STK281838, ZINC00847306, BAS 01041723, EU-0052337, TL80090955, A2186/0091934, 5-Acetoxy-6-bromo-2-bromomethyl-1-methyl-1H-indole-3-carboxylic acid, ethyl ester, ethyl 5-(acetyloxy)-6-bromo-2-(bromomethyl)-1-methyl-1H-indole-3-carboxylate

Molecular Formula:	C₁₅H₁₅Br₂NO₄	Molecular Weight:	433.091900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: MESMQGKAVXOGHJ-UHFFFAOYSA-N

• Flutrimazole

IUPAC Name: 1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole | CAS Registry Number: 119006-77-8
Synonyms: flutrimazole, Flutrimazol, Flusporan, Cutiman, Micetal, (flutrimazol), Flutrimazole [INN], Flutrimazole (INN), Spectrum_001620, Flutrimazol [INN-Spanish], Flutrimazolum [INN-Latin], Spectrum2_001606, Spectrum3_001179, Spectrum4_000232, Spectrum5_001485, BSPBio_002797, KBioGR_000923, KBioSS_002100, DivK1c_000714, DivK1c_001036

Molecular Formula:	C₂₂H₁₆F₂N₂	Molecular Weight:	346.372646 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: QHMWCHQXCUNUAK-UHFFFAOYSA-N

• Imidazo[1,2-b]pyridazine

IUPAC Name: imidazo[2,1-f]pyridazine | CAS Registry Number: 766-55-2
Synonyms: Imidazo(1,2-b)pyridazine, CID136599, GL-1075, TL8005252

Molecular Formula:	C₆H₅N₃	Molecular Weight:	119.124000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: VTVRXITWWZGKHV-UHFFFAOYSA-N

• Iron Sucrose Liquid/Powder

IUPAC Name: iron;2,3,4,5-tetrahydroxyhexanedioate | CAS Registry Number: 8047-67-4
Synonyms: iron; 2,3,4,5-tetrahydroxyhexanedioate, iron; 2,3,4,5-tetrakis(oxidanyl)hexanedioate, A839923

Molecular Formula:	C₁₈H₂₄Fe₆O₂₄-₆	Molecular Weight:	959.438760 [g/mol]
H-Bond Donor:	12	H-Bond Acceptor:	24

InChIKey: OIUALDNBBLMFAI-UHFFFAOYSA-H

• Irsogladine

IUPAC Name: (Z)-but-2-enedioic acid; 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine | CAS Registry Number: 57381-26-7
Synonyms: irsogladine maleate, Gaslon, Gaslon N, Dicloguamine maleate, Gaslon N (TN), Irsogladine maleate (JAN), MLS001401459, C9H7Cl2N5.C4H4O4, MN-1695, CPD000471621, SAM001246718, SMR000471621, LS-155294, D01658, 2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine maleate, s-Triazine, 2,4-diamino-6-(2,5-dichlorophenyl)-, maleate, 84504-69-8, 1,3,5-Triazine-2,4-diamine, 6-(2,5-dichlorophenyl)-, (Z)-2-butenedioate (1:1), 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine (2Z)-but-2-enedioate

Molecular Formula:	C₁₃H₁₁Cl₂N₅O₄	Molecular Weight:	372.163540 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: PJLVTVAIERNDEQ-BTJKTKAUSA-N

• Manidipine Dihydrochloride

IUPAC Name: 3-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate dihydrochloride | CAS Registry Number: 89226-75-5
Synonyms: Calslot, Artedil, Iperten, Manidipine.2HCl, Franidipine hydrochloride, Calslot (TN), Manidipine dihydrochloride, manidipine hydrochloride, (+-)-Manidipine hydrochloride, C35H38N4O6.2HCl, Manidipine hydrochloride (JAN), CV-4093, CV4093, CV 4093, LS-131279, LS-190755, D01553, 2-[4-(diphenylmethyl)piperazin-1-yl]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate dihydrochloride, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl methyl ester, dihydrochloride, 126229-12-7

Molecular Formula:	C₃₅H₄₀Cl₂N₄O₆	Molecular Weight:	683.621300 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: JINNGBXKBDUGQT-UHFFFAOYSA-N

• Manidipine Hydrochloride (CAS: 164220-30-8)

• Mercaptomethyl propionate

IUPAC Name: methyl 3-sulfanylpropanoate | CAS Registry Number: 2935-90-2
Synonyms: Methyl mercaptopropionate, METHYL 3-MERCAPTOPROPIONATE, methyl 3-mercaptopropanoate, Propanoic acid, 3-mercapto-, methyl ester, HSDB 5905, Propionic acid, 3-mercapto-, methyl ester, 108987_ALDRICH, 3-Mercaptopropionic acid methyl ester, Methyl .beta.-mercaptopropionate, EINECS 220-912-4, NSC 137814, NSC137814, ZINC03860879, LS-121512, Propionic acid, 3-mercapto-, methyl ester (8CI)

Molecular Formula:	C₄H₈O₂S	Molecular Weight:	120.170120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: LDTLDBDUBGAEDT-UHFFFAOYSA-N

• Methyl 3-Methoxy-Propionate

IUPAC Name: methyl 3-methoxypropanoate | CAS Registry Number: 3852-09-3
Synonyms: Methyl 3-methoxypropanoate, Methyl 3-methoxypropionate, Ambap674, Methyl methoxypropionate, Methyl beta-methoxypropionate, Methyl .beta.-methoxypropionate, 407429_ALDRICH, 65302_FLUKA, EINECS 223-358-1, Propanoic acid, 3-methoxy-, methyl ester, 3-Methoxypropionic acid methyl ester, NSC 65578, Propanoic acid, 3-methoxy-, methyl ether, NSC65578, beta-Methoxypropionic acid, methyl ester, BRN 1744829, ZINC01692465, AI3-15733, PROPIONIC ACID, 3-METHOXY-, METHYL ESTER, LS-124735

Molecular Formula:	C₅H₁₀O₃	Molecular Weight:	118.131100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: BDJSOPWXYLFTNW-UHFFFAOYSA-N

• N-(2,6-Dimethyl-phenyl)-2-piperazin-1-yl-acetamide

IUPAC Name: 2-[(2-chlorophenyl)carbamoylamino]-3-phenylpropanoic acid | CAS Registry Number: 5294-61-1

Molecular Formula:	C₁₆H₁₅ClN₂O₃	Molecular Weight:	318.754900 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: PGTUOOFJGHAMOZ-UHFFFAOYSA-N

• N-Methyl-N-formanilide

IUPAC Name: N-methyl-N-phenylformamide | CAS Registry Number: 93-61-8
Synonyms: N-Methylformanilide, Methylphenylformamide, Formanilide, N-methyl-, N-Methyl-N-phenylformamide, N-Formyl-N-methylaniline, N-Methyl-N-formylaniline, Formamide, N-methyl-N-phenyl-, N-Phenyl-N-methylformamide, M46802_ALDRICH, Formanilide, N-methyl- (8CI), NSC3828, NSC 3828, EINECS 202-262-3, ZINC03860612, AI3-12081

Molecular Formula:	C₈H₉NO	Molecular Weight:	135.163160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JIKUXBYRTXDNIY-UHFFFAOYSA-N

• Olivetol

IUPAC Name: 5-pentylbenzene-1,3-diol | CAS Registry Number: 500-66-3
Synonyms: OLIVETOL, 5-Pentylresorcinol, 5-n-Amylresorcinol, 5-n-Pentylresorcinol, Resorcinol, 5-pentyl-, 3,5-Dihydroxyamylbenzene, Olivetol (6CI), 5-Pentyl-1,3-benzenediol, 1,3-Benzenediol, 5-pentyl-, CCRIS 6084, 3,5-Dihydroxypentylbenzene, 5-pentylbenzene-1,3-diol, 1,3-Dihydroxy-5-pentylbenzene, 152633_ALDRICH, Resorcinol, 5-pentyl- (8CI), EINECS 207-908-8, 1,3-Benzenediol, 5-pentyl- (9CI), CID10377, BRN 0908277, ZINC02040431

Molecular Formula:	C₁₁H₁₆O₂	Molecular Weight:	180.243540 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: IRMPFYJSHJGOPE-UHFFFAOYSA-N

• Poly(vinyl Stearyl Ether)

IUPAC Name: 1-ethenoxyoctadecane | CAS Registry Number: 9003-96-7
Synonyms: Stearyl vinyl ether, Octadecyl vinyl ether, Vinyl octadecyl ether, Vinyl stearyl ether, Vinyloctadecyl ether, Ether, octadecyl vinyl, Octadecane, 1-(ethenyloxy)-, 1-(Vinyloxy)octadecane, 1-(ETHENYLOXY)OCTADECANE, Vinyl octadecyl ether polymer, EINECS 213-208-3, MolPort-003-932-812, Vinyl octadecyl ether, homopolymer, NSC 111998, CID13585, BRN 1709820, NSC111998, Ether, octadecyl vinyl (6CI,7CI,8CI), LS-97680, Octadecane, 1-(ethenyloxy)-, homopolymer

Molecular Formula:	C₂₀H₄₀O	Molecular Weight:	296.531000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: QJJDJWUCRAPCOL-UHFFFAOYSA-N

• Propacetamol HCl

IUPAC Name: (4-acetamidophenyl) 2-(diethylamino)acetate | CAS Registry Number: 66532-85-2
Synonyms: Propacetamol, Propacetamolum, Propacetamolum [Latin], Propacetamol (INN), Propacetamol [INN], UNII-5CHW4JMR82, EINECS 266-390-1, C14H20N2O3, CID68865, LS-72454, D07294, N,N-Diethylglycine, ester with 4'-hydroxyacetanilide

Molecular Formula:	C₁₄H₂₀N₂O₃	Molecular Weight:	264.320200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QTGAJCQTLIRCFL-UHFFFAOYSA-N

• Propacetamol Hydrochloride

IUPAC Name: (4-acetamidophenyl) 2-(diethylamino)acetate hydrochloride | CAS Registry Number: 66532-86-3
Synonyms: Pro-efferalgan, Pro-Dafalgan, Propacetamol HCL, Propacetamol hydrochloride, EINECS 266-391-7, UP-34101, TL8004709, 4-Acetamidophenyl N,N-diethylaminoacetate monohydrochloride, Glycine, N,N-diethyl-, 4-(acetylamino)phenyl ester, monohydrochloride

Molecular Formula:	C₁₄H₂₁ClN₂O₃	Molecular Weight:	300.781140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: WGTYJNGARJPYKG-UHFFFAOYSA-N

• Ranolazine

IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide | CAS Registry Number: 95635-55-5
Synonyms: Ranexa, RANOLAZINE, Latixa, Ranolazine 2HCl, (-)-Ranolazine, Ran4, ( -)-Ranolazine, Ranolazine dihydrochloride, Ranexa (TN), Ranolazine [USAN], RAN D, Ranolazine (USAN/INN), Lopac0_001062, BSPBio_002276, MLS002154149, SPECTRUM1505366, CVT-303, CID56959, KEG-1295, DB00243

Molecular Formula:	C₂₄H₃₃N₃O₄	Molecular Weight:	427.536520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: XKLMZUWKNUAPSZ-UHFFFAOYSA-N

• Vinyl Octadecyl Ether

IUPAC Name: 1-ethenoxyoctadecane | CAS Registry Number: 930-02-9
Synonyms: Stearyl vinyl ether, Vinyl stearyl ether, Octadecyl vinyl ether, Vinyl octadecyl ether, Vinyloctadecyl ether, Ether, octadecyl vinyl, Octadecane, 1-(ethenyloxy)-, 1-(Vinyloxy)octadecane, 1-(ETHENYLOXY)OCTADECANE, Vinyl octadecyl ether polymer, EINECS 213-208-3, Vinyl octadecyl ether, homopolymer, NSC 111998, BRN 1709820, NSC111998, Ether, octadecyl vinyl (6CI,7CI,8CI), LS-97680, Octadecane, 1-(ethenyloxy)-, homopolymer, 4-01-00-02057 (Beilstein Handbook Reference), 74434-32-5

Molecular Formula:	C₂₀H₄₀O	Molecular Weight:	296.531000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: QJJDJWUCRAPCOL-UHFFFAOYSA-N

• Zoledronic Acid

IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid | CAS Registry Number: 118072-93-8
Synonyms: Zoledronic acid, Zoledronate, Zometa, Aclasta, Reclast, Bisphosphonate 3, Zometa (Novartis), Zoledronic acid [USAN:INN], STOCK1N-71622, CHEBI:46557, Novartis brand of zoledronic acid, CGP 42446, CGP 42446A, CID68740, CGP-42446, NSC721517, (1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid, CGP 42'446, CGP-42'446, DB00399

Molecular Formula:	C₅H₁₀N₂O₇P₂	Molecular Weight:	272.089622 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: XRASPMIURGNCCH-UHFFFAOYSA-N

• 3,4-Dimethoxy-6-Nitro Benzoic Acid

IUPAC Name: 4,5-dimethoxy-2-nitrobenzoic acid | CAS Registry Number: 4998-07-6
Synonyms: 6-Nitroveratric acid, 4,5-Dimethoxy-2-nitrobenzoic acid, 329231_ALDRICH, ALD-N035267, CID78690, EINECS 225-657-2, ST5307763, TL8003316, InChI=1/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12

Molecular Formula:	C₉H₉NO₆	Molecular Weight:	227.170860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: WWCMFGBGMJAJRX-UHFFFAOYSA-N

• 3,4-Dimethoxybenzaldehyde

IUPAC Name: 3,4-dimethoxybenzaldehyde | CAS Registry Number: 120-14-9
Synonyms: VERATRALDEHYDE, Methylvanillin, Veratric aldehyde, Veratral, Veratryl aldehyde, Veratrum aldehyde, Vanillin methyl ether, p-Veratric aldehyde, 4-O-Methylvanillin, Benzaldehyde, 3,4-dimethoxy-, 3,4-Dimethoxybenzenecarbonal, FEMA No. 3109, CCRIS 6285, Protocatechualdehyde dimethyl ether, WLN: VHR CO1 DO1, W310905_ALDRICH, 143758_ALDRICH, Protocatechuic aldehyde dimethyl ether, 94860_FLUKA, CHEBI:17098

Molecular Formula:	C₉H₁₀O₃	Molecular Weight:	166.173900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WJUFSDZVCOTFON-UHFFFAOYSA-N

• 6-Nitroveratric Acid Methyl Ester

IUPAC Name: methyl 4,5-dimethoxy-2-nitrobenzoate | CAS Registry Number: 26791-93-5
Synonyms: Oprea1_288439, Methyl 4,5-dimethoxy-2-nitrobenzoate, EINECS 248-008-5, ZINC00056523, ST5319772, TL8002130, 4,5-Dimethoxy-2-nitrobenzoic acid, methyl ester, Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester, InChI=1/C10H11NO6/c1-15-8-4-6(10(12)17-3)7(11(13)14)5-9(8)16-2/h4-5H,1-3H

Molecular Formula:	C₁₀H₁₁NO₆	Molecular Weight:	241.197440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: SYYKLKHBZGFKOC-UHFFFAOYSA-N

• 3-Chloro-6-methylpyridazine

IUPAC Name: 3-chloro-6-methylpyridazine | CAS Registry Number: 1121-79-5
Synonyms: 3-Chloro-6-methyl-pyridazine, 637637_ALDRICH, TPC-003, NSC18704, ZINC00152979, ST5146600

Molecular Formula:	C₅H₅ClN₂	Molecular Weight:	128.559600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: PRORLQAJNJMGAR-UHFFFAOYSA-N

• 2-Bromopyridine-4-methanol

IUPAC Name: (2-bromopyridin-4-yl)methanol | CAS Registry Number: 118289-16-0
Synonyms: 2-bromo-4-hydroxymethylpyridine, 2-Bromo-4-pyridine methanol, (2-bromopyridin-4-yl)methanol, 2-BROMO-4-(HYDROXYMETHYL)PYRIDINE, (2-bromo-4-pyridyl)methan-1-ol, SBB054782, 4-PYRIDINEMETHANOL, 2-BROMO-, PubChem7708, ACMC-2099wj, KSC174I2H, AGN-PC-001KT4, CTK0H4423, MolPort-000-140-659, ACT05523, ANW-17105, RW3271, ZINC12360049, AKOS005257219, 4-HYDROXYMETHYL-2-BROMOPYRIDINE, AB17330

Molecular Formula:	C₆H₆BrNO	Molecular Weight:	188.021940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: IQNUGAFIKDRYRP-UHFFFAOYSA-N

• 2,2'-(5-Methyl-1,3-phenylene)di(2-methylpropanenitrile)

IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile | CAS Registry Number: 120511-72-0
Synonyms: 3,5-Bis(2-cyanoprop-2-yl)toluene, Pentamethyl-1,3-benzenediacetonitrile, 2,2'-(5-Methyl-1,3-phenylene)bis(2-methylpropanenitrile), 1,3-Benzenediacetonitrile,a1,a1,a3,a3,5-pentamethyl-, 2,2-(5-Methyl-1-,3-phenylene)di(2-methylpropiononitrile), PubChem14361, ACMC-1C6FE, AGN-PC-00R8FQ, SureCN1172829, CTK4B1911, MolPort-003-985-824, ANW-46631, SBB063217, ZINC21985858, AKOS005257888, AC-6803, AG-D-44789, 3,5-Bis(2-cyano-2-methylethyl)toluene, AK-55794, EN001317

Molecular Formula:	C₁₅H₁₈N₂	Molecular Weight:	226.316820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: SJECEXNMZXMXNE-UHFFFAOYSA-N

• 5-Hydroxy 1-tetralone

IUPAC Name: 5-hydroxy-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 28315-93-7
Synonyms: 5-Hydroxy-1-tetralone, 219975_ALDRICH, ZINC03861568, EINECS 248-958-0, CID119921, SDCCGMLS-0066118.P001, 1(2H)-Naphthalenone, 3,4-dihydro-5-hydroxy-, ST5406550, 3,4-Dihydro-5-hydroxy-1(2H)-naphthalenone, 1,2,3,4-Tetrahydro-5-hydroxynaphthalen-1-one

Molecular Formula:	C₁₀H₁₀O₂	Molecular Weight:	162.185200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YPPZCRZRQHFRBH-UHFFFAOYSA-N

• 4-Amino-2-Chloro-6,7-Dimethoxy Quinazoline

IUPAC Name: 2-chloro-6,7-dimethoxyquinazolin-4-amine | CAS Registry Number: 23680-84-4
Synonyms: 518654_ALDRICH, 4-Amino-2-chloro-6,7-dimethoxyquinazoline, ZINC02028665, ALBB-005949, CID90235, EINECS 245-821-7, SBB000787, 2-Chloro-6,7-dimethoxy-4-quinazolinamine, 2-Chloro-6,7-dimethoxyquinazolin-4-amine, 4-Quinazolinamine, 2-chloro-6,7-dimethoxy-, 2-chloro-6,7-dimethoxyquinazolin-4-ylamine, TL8001956, AN-829/25042011

Molecular Formula:	C₁₀H₁₀ClN₃O₂	Molecular Weight:	239.658300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: HWIIAAVGRHKSOJ-UHFFFAOYSA-N

• 4-Nitro-o-Toluidine

IUPAC Name: 2-methyl-4-nitroaniline | CAS Registry Number: 99-52-5
Synonyms: Diabase Red RL, Ansibases Red RL, Devol Red RL, Red Base Ciba X, Red Base Irga X, 4-Nitro-o-toluidine, Red RL Base, Devol Red Salt E, Red Base NRL, 2-Methyl-4-nitroaniline, Spectrolene Red RL, Fast Red RL Base, Fast Red Salt RL, Kako Red RL Base, p-Nitro-o-toluidine, 2-Amino-5-nitrotoluene, Daito Red Base RL, Diazo Fast Red RL, Fast Red 5NT, o-Toluidine, 4-nitro-

Molecular Formula:	C₇H₈N₂O₂	Molecular Weight:	152.150620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: XTTIQGSLJBWVIV-UHFFFAOYSA-N

• 2,4-Dihydroxy-6,7-Dimethoxyquinazoline

IUPAC Name: 6,7-dimethoxy-1H-quinazoline-2,4-dione | CAS Registry Number: 28888-44-0
Synonyms: Oprea1_517280, 329258_ALDRICH, 6,7-Dimethoxyquinazoline-2,4-dione, BB_NC-0679, EINECS 249-288-1, 6,7-Dimethoxy-2,4-quinazolinedione, CID120081, ZINC00120622, NCGC00160264-01, 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione, ST5307686, TL8002279, 6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione

Molecular Formula:	C₁₀H₁₀N₂O₄	Molecular Weight:	222.197400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: KWNQIIMVPSMYEM-UHFFFAOYSA-N

• 2,4-Dichloro-6,7-Dimethoxy Quinazoline

IUPAC Name: 2,4-dichloro-6,7-dimethoxyquinazoline | CAS Registry Number: 27631-29-4
Synonyms: 2,4-Dichloro-6,7-dimethoxyquinazoline, 550868_ALDRICH, ZINC02028663, CID520327, SBB000972, TL8002220, AN-829/25042010

Molecular Formula:	C₁₀H₈Cl₂N₂O₂	Molecular Weight:	259.088720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: DGHKCBSVAZXEPP-UHFFFAOYSA-N

• 3-Methoxypropionitrile

IUPAC Name: 3-methoxypropanenitrile | CAS Registry Number: 110-67-8
Synonyms: 3-Methoxypropanenitrile, 3-Methoxypropylnitrile, Propionitrile, 3-methoxy-, beta-Methoxypropionitrile, 1-Cyano-2-methoxyethane, 2-Cyanoethyl methyl ether, 3-Methoxypropiononitrile, beta-Methyoxypropionitrile, PROPANENITRILE, 3-METHOXY-, Methyl beta-cyanoethyl ether, .beta.-Methoxypropionitrile, 3-Methoxypropannitril [Czech], .beta.-Methyoxypropionitrile, WLN: NC2O1, beta-Methoxypropionitril [German], NSC 4090, 65290_FLUKA, EINECS 203-790-7, NSC4090, Propionitrile, 3-methoxy- (8CI)

Molecular Formula:	C₄H₇NO	Molecular Weight:	85.104480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: OOWFYDWAMOKVSF-UHFFFAOYSA-N

• 2,5-Dichlorobenzonitrile

IUPAC Name: 2,5-dichlorobenzonitrile | CAS Registry Number: 21663-61-6
Synonyms: Benzonitrile, 2,5-dichloro-, 529044_ALDRICH, EINECS 244-518-7, NSC166361, ZINC00159768, TL806250, AI3-33405, ST5406930

Molecular Formula:	C₇H₃Cl₂N	Molecular Weight:	172.011420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: LNGWRTKJZCBXGT-UHFFFAOYSA-N

• 2-Mercaptopropionic Acid

IUPAC Name: 2-sulfanylpropanoic acid | CAS Registry Number: 79-42-5
Synonyms: Thiolactic acid, 2-Thiolactic acid, 2-Mercaptopropanoic acid, 2-Thiolpropionic acid, 2-Mercaptopropionic acid, alpha-Mercaptopropanoic acid, alpha-Mercaptopropionic acid, 2-Sulfanylpropanoic acid, Propionic acid, 2-mercapto-, FEMA No. 3180, T31003_ALDRICH, W318000_ALDRICH, CHEBI:47872, EINECS 201-206-5, PROPANOIC ACID, 2-MERCAPTO-, UN2936, CID62326, BRN 0506218, Thiolactic acid [UN2936] [Poison], LS-2894

Molecular Formula:	C₃H₆O₂S	Molecular Weight:	106.143540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PMNLUUOXGOOLSP-UHFFFAOYSA-N

• 3-Mercaptopropionic Acid

IUPAC Name: 3-sulfanylpropanoic acid | CAS Registry Number: 107-96-0
Synonyms: 3-Mercaptopropanoic acid, 3-Thiopropionic acid, 3-Thiopropanoic acid, Mercaptopropionic acid, 3-Mercaptopropionate, beta-Thiopropionic acid, 3-MERCAPTOPROPIONIC ACID, beta-Mercaptopropionic acid, Propanoic acid, 3-mercapto-, 3MPA, 3-Thiolpropanoic acid, beta-Mercaptopropionate, Hydracrylic acid, 3-thio-, 3-thiohydracrylic acid, Propionic acid, mercapto-, beta-Mercaptopropanoic acid, Propionic acid, 3-mercapto-, 3-Sulfanylpropanoic acid, USAF E-5, 2-Mercaptoethanecarboxylic acid

Molecular Formula:	C₃H₆O₂S	Molecular Weight:	106.143540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DKIDEFUBRARXTE-UHFFFAOYSA-N

• 5-Hydroxy methyluracil

IUPAC Name: 5-(hydroxymethyl)-1H-pyrimidine-2,4-dione | CAS Registry Number: 4433-40-3
Synonyms: 5-Hydroxymethyluracil, 5-Oxymethyluracil, 5-(Hydroxymethyl)uracil, hydroxymethyluracil, 5-Hydroxymethyl uracil, 4-Methyl-5-oxyuracil, Thymine, alpha-hydroxy-, Uracil, 5-(hydroxymethyl)-, Thymine, .alpha.-hydroxy-, C5H6N2O3, 5-HYDROXY METHYL URACIL, CHEBI:16964, EINECS 224-636-5, CPD-254, NSC 20901, NSC20901, SBB000084, ZINC00114121, 2,4(1H,3H)-Pyrimidinedione, 5-(hydroxymethyl)-, AI3-62720

Molecular Formula:	C₅H₆N₂O₃	Molecular Weight:	142.112740 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: JDBGXEHEIRGOBU-UHFFFAOYSA-N

• 1H-imidazole-1-acetic acid

IUPAC Name: 2-imidazol-1-ylacetic acid | CAS Registry Number: 22884-10-2
Synonyms: Imidazol-1-yl-acetic acid, 1-Imidazolylacetic acid, 1H-imidazol-1-ylacetic acid, MLS000074022, ALBB-000273, SBB010182, BAS 05947792, SMR000013538, EC-000.1971

Molecular Formula:	C₅H₆N₂O₂	Molecular Weight:	126.113340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QAFBDRSXXHEXGB-UHFFFAOYSA-N

• 3,5-Di-tert-butyl-4-hydroxybenzaldehyde

IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzaldehyde | CAS Registry Number: 1620-98-0
Synonyms: 140406_ALDRICH, EINECS 216-592-0, NSC 14450, 3,5-Di-t-butyl-4-hydroxybenzaldehyde, NSC14450, BRN 0982526, SBB007996, ZINC00056443, Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, FR-0717, 4-Hydroxy-3,5-di-tert-butylbenzaldehyde, Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, LS-24985, TL8001234, 4-08-00-00601 (Beilstein Handbook Reference), 3,5-Di-tert-butyl-4-hydroxybenzaldehyde hemihydrate, 2,6-Ditert-butyl-4-(hydroxymethylene)-2,5-cyclohexadien-1-one, Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy- (9CI), 2,3,5,6-Detetrahydrocyclohexanone, 2,6-di-t-butyl-4-hydroxymethylene-, InChI=1/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H

Molecular Formula:	C₁₅H₂₂O₂	Molecular Weight:	234.333980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DOZRDZLFLOODMB-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydro-1-naphthoic acid

IUPAC Name: 1,2,3,4-tetrahydronaphthalene-1-carboxylic acid | CAS Registry Number: 1914-65-4
Synonyms: 1,2,3,4-tetrahydronaphthalene-1-carboxylic acid, 1,2,3,4-Tetrahedro-naphthoic acid, SBB065730, 1,2,3,4-tetrahydro-1-naphthalenecarboxylic acid, 1,2,3,4-tetrahydronaphthalenecarboxylic acid, (S)-1,2,3,4-tetrahydro-naphthoic acid, ACMC-209ev1, SureCN242244, Tetralin-1-carboxylic Acid, AC1Q74FO, CHEMBL81606, Jsp003930, 1-TETRALINCARBOXYLIC ACID, CTK0H4340, CHEBI:228620, MolPort-001-572-843, ACT02790, ANW-23531, WTI-10513, AKOS001452907

Molecular Formula:	C₁₁H₁₂O₂	Molecular Weight:	176.211780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: VDLWTJCSPSUGOA-UHFFFAOYSA-N

• 3-Ethoxypropionitrile

IUPAC Name: 3-ethoxypropanenitrile | CAS Registry Number: 2141-62-0
Synonyms: 3-Ethoxypropanenitrile, Propanenitrile, 3-ethoxy-, 2-Ethoxypropionitrile, Propionitrile, 3-ethoxy-, 3-Ethoxypropiononitrile, beta-Ethoxypropionitrile, alpha-Ethoxypropionitrile, 3-ETHOXYPROPIONITRILE, Propionitrile, 2-ethoxy-, .beta.-Ethoxypropionitrile, 2-Ethoxypropannitril [Czech], Propanenitrile, 2-ethoxy-, beta-Aethoxypropionitril [German], NSC 7767, EINECS 218-393-4, NSC7767, Propionitrile, 3-ethoxy- (8CI), Propanenitrile, 2-ethoxy- (9CI), BRN 0741924, BRN 1720500

Molecular Formula:	C₅H₉NO	Molecular Weight:	99.131060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DCWQZPJHHVLHSV-UHFFFAOYSA-N

• 4,5-Dihydro-6-methylpyridazin-3(2H)-one

IUPAC Name: 3-methyl-4,5-dihydro-1H-pyridazin-6-one | CAS Registry Number: 5157-08-4
Synonyms: WLN: T6NMV FUTJ F1, NSC 14585, NSC 48103, AIDS009156, AIDS-009156, NSC14585, NSC48103, 4,5-Dihydro-6-methyl-3(2H)-pyridazinone, ZINC00152911, 3(2H)-Pyridazinone, 4,5-dihydro-6-methyl-, 6-methyl-4,5-dihydro-2H-pyridazin-3-one, LS-129903, ST5409065, 205744-83-8

Molecular Formula:	C₅H₈N₂O	Molecular Weight:	112.129820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: VOTFXESXPPEARL-UHFFFAOYSA-N

• 6-Aminoindole

IUPAC Name: 3-chloro-N'-[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]benzohydrazide | CAS Registry Number: 5318-27-4
Synonyms: ARONIS017436, STK003164, ZINC00238816, CID5332359

Molecular Formula:	C₁₈H₂₀ClN₃O₂	Molecular Weight:	345.823300 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XOPKNRXGTBBKBH-WYMLVPIESA-N

• 3-Amino-6-chloropyrazine

IUPAC Name: 6-chloropyridazin-3-amine | CAS Registry Number: 5469-69-2
Synonyms: 6-Chloro-3-pyridazinamine, 3-Amino-6-chloropyridazine, 6-Amino-3-chloropyridazine, 3-Pyridazinamine, 6-chloro-, 6-Chloropyridazin-3-amine, 6-Chloro-3-aminopyridazine, 6-chloro-3-pyridazinylamine, Pyridazine, 3-amino-6-chloro-, NSC25227, 3-AMINO-6-CHLORO-PYRIDAZINE, EINECS 226-796-1, NSC 25227, SBB005487, ZINC00967320, SDCCGMLS-0065854.P001, Pyridazine, 3-amino-6-chloro- (8CI), TL8003582, AC-907/25014022

Molecular Formula:	C₄H₄ClN₃	Molecular Weight:	129.547660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DTXVKPOKPFWSFF-UHFFFAOYSA-N

• 2-Methyl-6-nitroaniline

IUPAC Name: 2-methyl-6-nitroaniline | CAS Registry Number: 570-24-1
Synonyms: 6-Nitro-o-toluidine, 2-Amino-3-nitrotoluene, 2-METHYL-6-NITROANILINE, Ambap5898, 6-Methyl-2-nitroaniline, 2-Methyl-6-nitro-benzenamine, Benzenamine, 2-methyl-6-nitro-, METHYLNITROBENZENAMINE, M59408_ALDRICH, 1-Amino-2-methyl-6-nitrobenzene, NSC 286, 45953_RIEDEL, NSC286, EINECS 209-329-6, NSC52218, ZINC03860618, LS-1393, Benzenamine, 2-methyl-6-nitro- (9CI), TL80073526, 60999-18-0

Molecular Formula:	C₇H₈N₂O₂	Molecular Weight:	152.150620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FCMRHMPITHLLLA-UHFFFAOYSA-N

• 6,7-Dimethoxy-2-piperazino-4-aminoquinazoline

IUPAC Name: 6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine | CAS Registry Number: 60547-97-9
Synonyms: 2-Padqz, Oprea1_697372, CBDivE_007723, MLS000060939, SDCCGMLS-0023979.P002, SMR000069167, ST5451605, TL8003833, EU-0016066, 6,7-Dimethoxy-2-(1-piperazinyl)-4-quinazolinamine, 2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline, 4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinqzoline, 4-Quinazolinamine, 6,7-dimethoxy-2-(1-piperazinyl)-

Molecular Formula:	C₁₄H₁₉N₅O₂	Molecular Weight:	289.332960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: APKHJGDGWQDBGM-UHFFFAOYSA-N

• 1,3,5-tri-o-acetyl-5-deoxyribofuranose

IUPAC Name: [(2R,5S)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate | CAS Registry Number: 62211-93-2
Synonyms: SureCN13171023, RP18084, 1,2,3-Triacety1-5-deoxy-beta-D-ribofuranose

Molecular Formula:	C₁₁H₁₆O₇	Molecular Weight:	260.240540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: NXEJETQVUQAKTO-CCAXTJIOSA-N

• 3-(methyl amino)-propionitrile

IUPAC Name: 3-(methylamino)propanenitrile | CAS Registry Number: 693-05-0
Synonyms: 3-(Methylamino)propionitrile, (2-Cyanoethyl)methyl amine, 3-Methylaminopropionitrile, (2-Cyanoethyl)methylamine, Propanenitrile, 3-(methylamino)-, (Methylamino)propionitrile, N-(2-Cyanoethyl)methylamine, 3-(Methylamino)propanenitrile, Propionitrile, 3-(methylamino)-, beta-(Methylamino)propionitrile, N-(beta-Cyanoethyl)methylamine, beta-Methylaminopropionitrile, 3-(N-Methylamino)propionitrile, N-Methyl-.beta.-alaninenitrile, N-Methyl-beta-alaninenitrile, N-Methyl-beta-aminopropionitrile, M27603_ALDRICH, N-.beta.-Cyanoethylmethylamine, NSC 8399, EINECS 211-740-0

Molecular Formula:	C₄H₈N₂	Molecular Weight:	84.119720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: UNIJBMUBHBAUET-UHFFFAOYSA-N